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DL-Homocysteine, N-acetyl-S-phenyl-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
SpectraBase Compound ID aS2f7A6EtH
InChI InChI=1S/C27H37NO4S/c1-18(29)28-23(14-15-33-20-12-10-9-11-13-20)25(30)32-24-21(26(2,3)4)16-19(31-8)17-22(24)27(5,6)7/h9-13,16-17,23H,14-15H2,1-8H3,(H,28,29)
InChIKey VAIPCCSLTKVOAF-UHFFFAOYSA-N
Mol Weight 471.7 g/mol
Molecular Formula C27H37NO4S
Exact Mass 471.24433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsybokiqyMW
Name DL-Homocysteine, N-acetyl-S-phenyl-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
CAS Registry Number 113719-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO4S
InChI InChI=1S/C27H37NO4S/c1-18(29)28-23(14-15-33-20-12-10-9-11-13-20)25(30)32-24-21(26(2,3)4)16-19(31-8)17-22(24)27(5,6)7/h9-13,16-17,23H,14-15H2,1-8H3,(H,28,29)
InChIKey VAIPCCSLTKVOAF-UHFFFAOYSA-N
Molecular Weight 471.656 g/mol
SMILES N(C(C(Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)OC)=O)CCSc1ccccc1)C(=O)C
SPLASH splash10-059l-8690000000-5b1758b3326fc0063c21
Source of Spectrum H-70-1514-21
Synonyms 2,6-Ditert-butyl-4-methoxyphenyl 2-(acetylamino)-4-(phenylsulfanyl)butanoate [2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl]-2-acetamido-4-(phenylthio)butanoate
Wiley ID 1393132